ethyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25ClN3O4+ MolecularWeight: 370.8511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H24ClN3O4/c1-2-24-17(23)21-10-8-20(9-11-21)13-16(22)19-7-12-25-15-5-3-14(18)4-6-15/h3-6H,2,7-13H2,1H3,(H,19,22)/p+1